(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C17H10N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H10N2O4BrCl
Smiles	Oc(ccc(/C=C(\C(NC(N1c(cccc2)c2Cl)=O)=O)/C1=O)c1)c1Br
InChI	InChI=1S/C17H10BrClN2O4/c18-11-8-9(5-6-14(11)22)7-10-15(23)20-17(25)21(16(10)24)13-4-2-1-3-12(13)19/h1-8,22H,(H,20,23,25)
InChIK	LFKTVMPOHPAAAD-UHFFFAOYSA-N
TotalMolweight	421.633
Molweight	421.633
MonoisotopicMass	419.951246
CLogP	3.1409
CLogS	-5.161
H Acceptors	6
H Donors	2
TotalSurfaceArea	259.64
Relative PSA	0.25894
PolarSurfaceArea	86.71
Druglikeness	2.9711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	2
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-1-(2-chlorophenyl)-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments